[Wien] lapw2c tries to read an anomalous amount of data

Gavin Abo gsabo at crimson.ua.edu
Fri Jul 26 14:05:32 CEST 2019


Maybe it doesn't help since I don't remember if the lapw1 memory usage 
is larger than lapw2 or not. However, I have found "x lapw1 -nmat_only" 
helpful for estimation in the past:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08136.html


On 7/26/2019 2:27 AM, Luc Fruchter wrote:
> Yes, I have shared memory. Swap on disk is disabled, so the system 
> must manage differently here.
>
> I just wonder now: is there a way to estimate the memory needed for 
> the lapw2s, without running scf up to these ? Is this the total 
> .vector size ?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20190726/62d0250e/attachment.html>


More information about the Wien mailing list